AC1N4TIE
N-[5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide
Also Known As: F0417-1804|N-[5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide|N-[5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide|(3r,5r,7r)-N-(5-((3-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide
CAS: 392301-85-8
| Molecular Formula | C21H22F3N3OS2 |
|---|---|
| Molecular Weight | 453.11563 g/mol |
| LogP | 6.0041 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.11563 |
| Monoisotopic Mass | 453.11563 |
| Heavy Atoms | 30 |
| Complexity | 923.6842 |
Chemical Identifiers
| CAS Number | 392301-85-8 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NN=C(S4)SCC5=CC(=CC=C5)C(F)(F)F |
Product Overview
AC1N4TIE (CAS 392301-85-8), with molecular formula C21H22F3N3OS2 and molecular weight 453.11563 g/mol. IUPAC: N-[5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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